2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane

C14H21BrN2O2Si — CID 66599709

IUPAC2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1ncc2c(ccn2COCC[Si](C)(C)C)c1Br
InChIInChI=1S/C14H21BrN2O2Si/c1-18-14-13(15)11-5-6-17(12(11)9-16-14)10-19-7-8-20(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyZOMNZRTUHCEZQG-UHFFFAOYSA-N
MW357.32 g/mol
LogP4.12
Rot. Bonds6

About 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane

2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane (PubChem CID 66599709) has the molecular formula C14H21BrN2O2Si and a molecular weight of 357.32 g/mol. Its IUPAC name is 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
PubChem CID66599709
Molecular FormulaC14H21BrN2O2Si
Molecular Weight357.32 g/mol
Exact Mass356.06
IUPAC Name2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane
SMILESCOc1ncc2c(ccn2COCC[Si](C)(C)C)c1Br
InChIInChI=1S/C14H21BrN2O2Si/c1-18-14-13(15)11-5-6-17(12(11)9-16-14)10-19-7-8-20(2,3)4/h5-6,9H,7-8,10H2,1-4H3
InChIKeyZOMNZRTUHCEZQG-UHFFFAOYSA-N
XLogP4.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane (CID 66599709) is 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane is COc1ncc2c(ccn2COCC[Si](C)(C)C)c1Br.
What is the InChIKey of 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ZOMNZRTUHCEZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O2Si/c1-18-14-13(15)11-5-6-17(12(11)9-16-14)10-19-7-8-20(2,3)4/h5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane?
2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 357.32 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-5-methoxypyrrolo[2,3-c]pyridin-1-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 66599709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).